data_M7F
# 
_chem_comp.id                                    M7F 
_chem_comp.name                                  "(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8S,9R,10S,11S,13R,14S,17S)-17-[(2S,5R)-5-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C48 H82 O19" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2022-12-23 
_chem_comp.pdbx_modified_date                    2024-05-24 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        963.153 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     M7F 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        8HJL 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
M7F C01 C1  C 0 1 N N N N N N 47.206 -24.733 34.778 -3.221  3.353  -0.387 C01 M7F 1   
M7F C02 C2  C 0 1 N N R N N N 46.777 -25.727 33.629 -3.189  1.797  -0.213 C02 M7F 2   
M7F C03 C3  C 0 1 N N S N N N 46.967 -24.746 32.381 -2.270  1.541  0.961  C03 M7F 3   
M7F C04 C4  C 0 1 N N S N N N 45.732 -24.440 31.445 -0.854  1.138  0.620  C04 M7F 4   
M7F C05 C5  C 0 1 N N N N N N 45.982 -25.775 30.693 -0.689  -0.382 0.880  C05 M7F 5   
M7F C06 C6  C 0 1 N N R N N N 44.368 -24.991 31.873 -0.426  1.481  -0.821 C06 M7F 6   
M7F C07 C7  C 0 1 N N N N N N 44.189 -25.408 33.392 -1.352  0.774  -1.765 C07 M7F 7   
M7F C08 C8  C 0 1 N N S N N N 45.353 -26.236 33.944 -2.798  1.230  -1.559 C08 M7F 8   
M7F C10 C9  C 0 1 N N N N N N 44.157 -23.569 32.451 -0.405  2.995  -1.108 C10 M7F 9   
M7F C11 C10 C 0 1 N N S N N N 43.341 -24.512 30.868 1.069   1.114  -0.829 C11 M7F 10  
M7F C12 C11 C 0 1 N N N N N N 44.178 -24.377 29.544 1.530   1.326  0.632  C12 M7F 11  
M7F C13 C12 C 0 1 N N N N N N 45.661 -24.050 29.929 0.277   1.836  1.412  C13 M7F 12  
M7F C14 C13 C 0 1 N N S N N N 42.205 -25.468 30.666 1.392   -0.263 -1.371 C14 M7F 13  
M7F C15 C14 C 0 1 N N N N N N 41.523 -25.059 29.321 2.880   -0.554 -1.170 C15 M7F 14  
M7F C16 C15 C 0 1 N N N N N N 41.420 -26.305 28.342 3.182   -1.990 -1.603 C16 M7F 15  
M7F C17 C16 C 0 1 N N R N N N 40.612 -26.054 27.058 4.670   -2.282 -1.402 C17 M7F 16  
M7F C19 C17 C 0 1 N N S N N N 40.267 -23.869 26.391 6.143   -1.462 0.302  C19 M7F 17  
M7F C20 C18 C 0 1 N N R N N N 41.035 -22.616 25.812 5.751   -0.288 1.203  C20 M7F 18  
M7F C22 C19 C 0 1 N N S N N N 43.273 -22.130 25.724 7.111   1.565  0.524  C22 M7F 19  
M7F C24 C20 C 0 1 N N R N N N 44.858 -23.069 24.122 7.600   1.969  -1.789 C24 M7F 20  
M7F C25 C21 C 0 1 N N N N N N 45.357 -24.419 23.467 7.870   1.254  -3.115 C25 M7F 21  
M7F C27 C22 C 0 1 N N S N N N 46.076 -22.456 24.837 8.798   2.852  -1.432 C27 M7F 22  
M7F C28 C23 C 0 1 N N S N N N 45.684 -21.229 25.722 8.546   3.517  -0.075 C28 M7F 23  
M7F C29 C24 C 0 1 N N R N N N 44.380 -21.496 26.578 8.290   2.431  0.974  C29 M7F 24  
M7F C33 C25 C 0 1 N N S N N N 40.165 -21.357 25.939 5.188   -0.832 2.520  C33 M7F 25  
M7F C35 C26 C 0 1 N N R N N N 38.664 -21.821 26.090 6.234   -1.741 3.172  C35 M7F 26  
M7F C36 C27 C 0 1 N N S N N N 38.364 -23.035 25.189 6.608   -2.859 2.195  C36 M7F 27  
M7F C38 C28 C 0 1 N N N N N N 36.876 -23.345 25.182 7.697   -3.736 2.816  C38 M7F 28  
M7F C41 C29 C 0 1 N N N N N N 40.743 -27.284 26.222 4.996   -3.673 -1.950 C41 M7F 29  
M7F C42 C30 C 0 1 N N N N N N 40.208 -28.412 27.057 6.503   -3.919 -1.853 C42 M7F 30  
M7F C43 C31 C 0 1 N N N N N N 42.207 -27.537 25.907 4.253   -4.730 -1.131 C43 M7F 31  
M7F C45 C32 C 0 1 N N N N N N 41.163 -25.374 31.771 1.059   -0.314 -2.864 C45 M7F 32  
M7F C46 C33 C 0 1 N N N N N N 48.239 -24.904 31.551 -2.864  0.469  1.886  C46 M7F 33  
M7F C47 C34 C 0 1 N N N N N N 49.215 -26.064 31.839 -4.234  0.882  2.361  C47 M7F 34  
M7F C48 C35 C 0 1 N N N N N N 48.514 -27.298 32.442 -5.081  1.309  1.483  C48 M7F 35  
M7F C49 C36 C 0 1 N N S N N N 47.870 -26.916 33.763 -4.660  1.584  0.074  C49 M7F 36  
M7F C50 C37 C 0 1 N N N N N N 47.376 -28.161 34.586 -5.405  0.658  -0.876 C50 M7F 37  
M7F C51 C38 C 0 1 N N N N N N 48.483 -29.166 34.864 -6.906  0.923  -0.676 C51 M7F 38  
M7F C52 C39 C 0 1 N N S N N N 49.686 -29.093 33.882 -7.334  0.613  0.752  C52 M7F 39  
M7F C53 C40 C 0 1 N N N N N N 49.285 -28.596 32.450 -6.561  1.435  1.788  C53 M7F 40  
M7F C54 C41 C 0 1 N N N N N N 50.539 -28.358 31.550 -6.983  2.902  1.727  C54 M7F 41  
M7F C55 C42 C 0 1 N N N N N N 48.493 -29.680 31.688 -6.882  0.880  3.181  C55 M7F 42  
M7F C57 C43 C 0 1 N N R N N N 51.879 -29.038 34.544 -9.570  -0.240 0.605  C57 M7F 43  
M7F C59 C44 C 0 1 N N R N N N 52.864 -30.973 35.278 -10.225 -1.715 -1.169 C59 M7F 44  
M7F C60 C45 C 0 1 N N N N N N 52.671 -32.186 36.258 -9.990  -2.007 -2.652 C60 M7F 45  
M7F C62 C46 C 0 1 N N S N N N 54.262 -30.335 35.435 -11.708 -1.414 -0.937 C62 M7F 46  
M7F C63 C47 C 0 1 N N S N N N 54.388 -28.976 34.636 -11.925 -1.064 0.539  C63 M7F 47  
M7F C64 C48 C 0 1 N N R N N N 53.076 -28.108 34.721 -11.026 0.120  0.909  C64 M7F 48  
M7F O09 O1  O 0 1 N N N N N N 45.063 -26.266 35.371 -3.129  2.196  -2.581 O09 M7F 49  
M7F O18 O2  O 0 1 N N N N N N 41.132 -24.952 26.359 4.981   -2.234 -0.009 O18 M7F 50  
M7F O21 O3  O 0 1 N N N N N N 42.193 -22.453 26.567 6.902   0.515  1.470  O21 M7F 51  
M7F O23 O4  O 0 1 N N N N N N 43.759 -23.345 25.052 7.398   1.001  -0.758 O23 M7F 52  
M7F O26 O5  O 0 1 N N N N N N 44.412 -24.845 22.531 6.707   0.523  -3.507 O26 M7F 53  
M7F O30 O6  O 0 1 N N N N N N 43.896 -20.273 27.103 7.982   3.042  2.229  O30 M7F 54  
M7F O31 O7  O 0 1 N N N N N N 46.853 -21.001 26.605 9.691   4.285  0.301  O31 M7F 55  
M7F O32 O8  O 0 1 N N N N N N 47.027 -22.013 23.861 8.967   3.857  -2.433 O32 M7F 56  
M7F O34 O9  O 0 1 N N N N N N 40.348 -20.532 24.759 4.000   -1.581 2.260  O34 M7F 57  
M7F O37 O10 O 0 1 N N N N N N 39.116 -24.224 25.752 7.095   -2.284 0.980  O37 M7F 58  
M7F O39 O11 O 0 1 N N N N N N 36.583 -23.685 23.878 7.979   -4.833 1.944  O39 M7F 59  
M7F O40 O12 O 0 1 N N N N N N 37.769 -20.766 25.764 5.694   -2.311 4.366  O40 M7F 60  
M7F O44 O13 O 0 1 N N N N N N 40.042 -27.164 25.047 4.587   -3.754 -3.317 O44 M7F 61  
M7F O56 O14 O 0 1 N N N N N N 50.634 -28.301 34.435 -8.731  0.880  0.895  O56 M7F 62  
M7F O58 O15 O 0 1 N N N N N N 51.819 -29.996 35.561 -9.444  -0.585 -0.776 O58 M7F 63  
M7F O61 O16 O 0 1 N N N N N N 51.636 -32.963 35.766 -8.631  -2.401 -2.851 O61 M7F 64  
M7F O65 O17 O 0 1 N N N N N N 53.082 -27.157 33.657 -11.166 0.409  2.301  O65 M7F 65  
M7F O66 O18 O 0 1 N N N N N N 55.460 -28.213 35.165 -13.293 -0.710 0.750  O66 M7F 66  
M7F O67 O19 O 0 1 N N N N N N 55.256 -31.235 34.939 -12.487 -2.563 -1.274 O67 M7F 67  
M7F H1  H1  H 0 1 N N N N N N 47.139 -25.244 35.750 -2.213  3.752  -0.271 H1  M7F 68  
M7F H2  H2  H 0 1 N N N N N N 48.241 -24.402 34.609 -3.598  3.600  -1.379 H2  M7F 69  
M7F H3  H3  H 0 1 N N N N N N 46.537 -23.860 34.776 -3.873  3.790  0.370  H3  M7F 70  
M7F H4  H4  H 0 1 N N N N N N 47.125 -23.777 32.876 -2.220  2.478  1.563  H4  M7F 71  
M7F H5  H5  H 0 1 N N N N N N 45.231 -25.895 29.898 -1.329  -0.939 0.196  H5  M7F 72  
M7F H6  H6  H 0 1 N N N N N N 46.988 -25.762 30.248 0.351   -0.667 0.718  H6  M7F 73  
M7F H7  H7  H 0 1 N N N N N N 45.904 -26.614 31.400 -0.971  -0.607 1.908  H7  M7F 74  
M7F H8  H8  H 0 1 N N N N N N 44.097 -24.493 33.995 -1.048  0.992  -2.802 H8  M7F 75  
M7F H9  H9  H 0 1 N N N N N N 43.267 -26.001 33.483 -1.296  -0.312 -1.650 H9  M7F 76  
M7F H10 H10 H 0 1 N N N N N N 45.264 -27.256 33.541 -3.437  0.346  -1.758 H10 M7F 77  
M7F H11 H11 H 0 1 N N N N N N 43.164 -23.507 32.920 -0.157  3.535  -0.194 H11 M7F 78  
M7F H12 H12 H 0 1 N N N N N N 44.932 -23.361 33.204 0.343   3.209  -1.871 H12 M7F 79  
M7F H13 H13 H 0 1 N N N N N N 44.226 -22.830 31.640 -1.386  3.312  -1.462 H13 M7F 80  
M7F H14 H14 H 0 1 N N N N N N 42.960 -23.522 31.160 1.582   1.870  -1.456 H14 M7F 81  
M7F H15 H15 H 0 1 N N N N N N 44.140 -25.322 28.982 1.900   0.402  1.066  H15 M7F 82  
M7F H16 H16 H 0 1 N N N N N N 43.767 -23.566 28.926 2.312   2.086  0.663  H16 M7F 83  
M7F H17 H17 H 0 1 N N N N N N 45.879 -22.981 29.786 0.202   2.911  1.383  H17 M7F 84  
M7F H18 H18 H 0 1 N N N N N N 46.365 -24.651 29.334 0.295   1.469  2.437  H18 M7F 85  
M7F H19 H19 H 0 1 N N N N N N 42.581 -26.499 30.589 0.801   -1.010 -0.841 H19 M7F 86  
M7F H20 H20 H 0 1 N N N N N N 40.512 -24.679 29.530 3.470   0.138  -1.771 H20 M7F 87  
M7F H21 H21 H 0 1 N N N N N N 42.119 -24.270 28.839 3.136   -0.431 -0.118 H21 M7F 88  
M7F H22 H22 H 0 1 N N N N N N 42.440 -26.597 28.052 2.592   -2.682 -1.002 H22 M7F 89  
M7F H23 H23 H 0 1 N N N N N N 40.943 -27.131 28.890 2.926   -2.114 -2.655 H23 M7F 90  
M7F H24 H24 H 0 1 N N N N N N 39.556 -25.893 27.321 5.261   -1.535 -1.932 H24 M7F 91  
M7F H25 H25 H 0 1 N N N N N N 40.036 -23.633 27.440 6.583   -1.081 -0.620 H25 M7F 92  
M7F H26 H26 H 0 1 N N N N N N 41.265 -22.797 24.752 4.992   0.316  0.705  H26 M7F 93  
M7F H27 H27 H 0 1 N N N N N N 42.957 -21.398 24.966 6.213   2.179  0.458  H27 M7F 94  
M7F H28 H28 H 0 1 N N N N N N 44.523 -22.390 23.324 6.708   2.589  -1.885 H28 M7F 95  
M7F H29 H29 H 0 1 N N N N N N 46.322 -24.252 22.967 8.112   1.990  -3.882 H29 M7F 96  
M7F H30 H30 H 0 1 N N N N N N 45.476 -25.186 24.247 8.707   0.567  -2.993 H30 M7F 97  
M7F H31 H31 H 0 1 N N N N N N 46.527 -23.222 25.485 9.698   2.239  -1.375 H31 M7F 98  
M7F H32 H32 H 0 1 N N N N N N 45.516 -20.355 25.076 7.675   4.169  -0.145 H32 M7F 99  
M7F H33 H33 H 0 1 N N N N N N 44.639 -22.188 27.393 9.180   1.809  1.079  H33 M7F 100 
M7F H34 H34 H 0 1 N N N N N N 40.457 -20.804 26.844 4.959   -0.002 3.188  H34 M7F 101 
M7F H35 H35 H 0 1 N N N N N N 38.512 -22.126 27.136 7.123   -1.158 3.416  H35 M7F 102 
M7F H36 H36 H 0 1 N N N N N N 38.706 -22.827 24.165 5.728   -3.466 1.983  H36 M7F 103 
M7F H37 H37 H 0 1 N N N N N N 36.654 -24.183 25.858 8.601   -3.146 2.961  H37 M7F 104 
M7F H38 H38 H 0 1 N N N N N N 36.297 -22.462 25.490 7.353   -4.116 3.778  H38 M7F 105 
M7F H39 H39 H 0 1 N N N N N N 40.278 -29.353 26.491 6.798   -3.958 -0.805 H39 M7F 106 
M7F H40 H40 H 0 1 N N N N N N 40.798 -28.495 27.982 6.748   -4.865 -2.335 H40 M7F 107 
M7F H41 H41 H 0 1 N N N N N N 39.156 -28.214 27.310 7.036   -3.109 -2.351 H41 M7F 108 
M7F H42 H42 H 0 1 N N N N N N 42.299 -28.444 25.291 3.179   -4.555 -1.200 H42 M7F 109 
M7F H43 H43 H 0 1 N N N N N N 42.617 -26.677 25.357 4.485   -5.721 -1.521 H43 M7F 110 
M7F H44 H44 H 0 1 N N N N N N 42.766 -27.673 26.845 4.565   -4.668 -0.089 H44 M7F 111 
M7F H45 H45 H 0 1 N N N N N N 40.354 -26.094 31.575 1.512   0.540  -3.366 H45 M7F 112 
M7F H46 H46 H 0 1 N N N N N N 41.633 -25.605 32.738 1.450   -1.237 -3.292 H46 M7F 113 
M7F H47 H47 H 0 1 N N N N N N 40.749 -24.355 31.798 -0.023  -0.282 -2.996 H47 M7F 114 
M7F H48 H48 H 0 1 N N N N N N 47.922 -25.010 30.503 -3.033  -0.458 1.329  H48 M7F 115 
M7F H49 H49 H 0 1 N N N N N N 48.811 -23.972 31.669 -2.234  0.307  2.755  H49 M7F 116 
M7F H50 H50 H 0 1 N N N N N N 50.275 -26.017 31.640 -4.426  0.853  3.417  H50 M7F 117 
M7F H53 H53 H 0 1 N N N N N N 48.678 -26.479 34.368 -5.100  2.593  -0.147 H53 M7F 118 
M7F H54 H54 H 0 1 N N N N N N 46.973 -27.809 35.547 -5.156  0.895  -1.912 H54 M7F 119 
M7F H55 H55 H 0 1 N N N N N N 46.580 -28.664 34.017 -5.177  -0.383 -0.673 H55 M7F 120 
M7F H56 H56 H 0 1 N N N N N N 48.860 -28.988 35.882 -7.106  1.975  -0.895 H56 M7F 121 
M7F H57 H57 H 0 1 N N N N N N 48.052 -30.176 34.804 -7.481  0.309  -1.373 H57 M7F 122 
M7F H58 H58 H 0 1 N N N N N N 50.075 -30.116 33.770 -7.164  -0.455 0.950  H58 M7F 123 
M7F H59 H59 H 0 1 N N N N N N 51.146 -29.275 31.516 -6.788  3.295  0.730  H59 M7F 124 
M7F H60 H60 H 0 1 N N N N N N 50.215 -28.095 30.532 -8.048  2.982  1.948  H60 M7F 125 
M7F H61 H61 H 0 1 N N N N N N 51.140 -27.537 31.968 -6.416  3.474  2.461  H61 M7F 126 
M7F H62 H62 H 0 1 N N N N N N 49.059 -30.623 31.697 -6.321  1.436  3.932  H62 M7F 127 
M7F H63 H63 H 0 1 N N N N N N 47.519 -29.833 32.175 -7.950  0.982  3.375  H63 M7F 128 
M7F H64 H64 H 0 1 N N N N N N 48.336 -29.357 30.648 -6.604  -0.173 3.225  H64 M7F 129 
M7F H65 H65 H 0 1 N N N N N N 52.032 -29.564 33.590 -9.269  -1.088 1.220  H65 M7F 130 
M7F H66 H66 H 0 1 N N N N N N 52.760 -31.342 34.247 -9.933  -2.583 -0.577 H66 M7F 131 
M7F H67 H67 H 0 1 N N N N N N 53.596 -32.780 36.306 -10.652 -2.811 -2.974 H67 M7F 132 
M7F H68 H68 H 0 1 N N N N N N 52.419 -31.819 37.264 -10.197 -1.110 -3.236 H68 M7F 133 
M7F H69 H69 H 0 1 N N N N N N 54.436 -30.125 36.501 -12.011 -0.572 -1.559 H69 M7F 134 
M7F H70 H70 H 0 1 N N N N N N 54.574 -29.216 33.579 -11.669 -1.923 1.159  H70 M7F 135 
M7F H71 H71 H 0 1 N N N N N N 53.028 -27.614 35.703 -11.315 0.993  0.324  H71 M7F 136 
M7F H72 H72 H 0 1 N N N N N N 44.179 -26.585 35.508 -2.910  1.910  -3.478 H72 M7F 137 
M7F H73 H73 H 0 1 N N N N N N 44.704 -25.656 22.132 6.806   0.043  -4.341 H73 M7F 138 
M7F H74 H74 H 0 1 N N N N N N 44.570 -19.867 27.635 7.804   2.411  2.940  H74 M7F 139 
M7F H75 H75 H 0 1 N N N N N N 46.680 -20.261 27.175 9.601   4.735  1.152  H75 M7F 140 
M7F H76 H76 H 0 1 N N N N N N 47.779 -21.634 24.300 9.710   4.454  -2.270 H76 M7F 141 
M7F H77 H77 H 0 1 N N N N N N 39.812 -19.751 24.832 3.589   -1.955 3.051  H77 M7F 142 
M7F H78 H78 H 0 1 N N N N N N 35.659 -23.892 23.804 8.661   -5.433 2.275  H78 M7F 143 
M7F H79 H79 H 0 1 N N N N N N 36.874 -21.068 25.862 6.304   -2.900 4.832  H79 M7F 144 
M7F H80 H80 H 0 1 N N N N N N 40.142 -27.958 24.535 5.019   -3.111 -3.896 H80 M7F 145 
M7F H81 H81 H 0 1 N N N N N N 51.497 -33.706 36.341 -8.410  -2.602 -3.770 H81 M7F 146 
M7F H82 H82 H 0 1 N N N N N N 53.824 -26.573 33.758 -10.621 1.147  2.606  H82 M7F 147 
M7F H83 H83 H 0 1 N N N N N N 55.535 -27.397 34.685 -13.502 -0.476 1.665  H83 M7F 148 
M7F H84 H84 H 0 1 N N N N N N 56.116 -30.843 35.036 -13.439 -2.444 -1.151 H84 M7F 149 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
M7F C01 C02 SING N N 1   
M7F C02 C03 SING N N 2   
M7F C02 C08 SING N N 3   
M7F C02 C49 SING N N 4   
M7F C03 C04 SING N N 5   
M7F C03 C46 SING N N 6   
M7F C04 C05 SING N N 7   
M7F C04 C06 SING N N 8   
M7F C04 C13 SING N N 9   
M7F C06 C07 SING N N 10  
M7F C06 C10 SING N N 11  
M7F C06 C11 SING N N 12  
M7F C07 C08 SING N N 13  
M7F C08 O09 SING N N 14  
M7F C11 C12 SING N N 15  
M7F C11 C14 SING N N 16  
M7F C12 C13 SING N N 17  
M7F C14 C15 SING N N 18  
M7F C14 C45 SING N N 19  
M7F C15 C16 SING N N 20  
M7F C16 C17 SING N N 21  
M7F C17 C41 SING N N 22  
M7F C17 O18 SING N N 23  
M7F C19 C20 SING N N 24  
M7F C19 O18 SING N N 25  
M7F C19 O37 SING N N 26  
M7F C20 C33 SING N N 27  
M7F C20 O21 SING N N 28  
M7F C22 C29 SING N N 29  
M7F C22 O21 SING N N 30  
M7F C22 O23 SING N N 31  
M7F C24 C25 SING N N 32  
M7F C24 C27 SING N N 33  
M7F C24 O23 SING N N 34  
M7F C25 O26 SING N N 35  
M7F C27 C28 SING N N 36  
M7F C27 O32 SING N N 37  
M7F C28 C29 SING N N 38  
M7F C28 O31 SING N N 39  
M7F C29 O30 SING N N 40  
M7F C33 C35 SING N N 41  
M7F C33 O34 SING N N 42  
M7F C35 C36 SING N N 43  
M7F C35 O40 SING N N 44  
M7F C36 C38 SING N N 45  
M7F C36 O37 SING N N 46  
M7F C38 O39 SING N N 47  
M7F C41 C42 SING N N 48  
M7F C41 C43 SING N N 49  
M7F C41 O44 SING N N 50  
M7F C46 C47 SING N N 51  
M7F C47 C48 DOUB N N 52  
M7F C48 C49 SING N N 53  
M7F C48 C53 SING N N 54  
M7F C49 C50 SING N N 55  
M7F C50 C51 SING N N 56  
M7F C51 C52 SING N N 57  
M7F C52 C53 SING N N 58  
M7F C52 O56 SING N N 59  
M7F C53 C54 SING N N 60  
M7F C53 C55 SING N N 61  
M7F C57 C64 SING N N 62  
M7F C57 O56 SING N N 63  
M7F C57 O58 SING N N 64  
M7F C59 C60 SING N N 65  
M7F C59 C62 SING N N 66  
M7F C59 O58 SING N N 67  
M7F C60 O61 SING N N 68  
M7F C62 C63 SING N N 69  
M7F C62 O67 SING N N 70  
M7F C63 C64 SING N N 71  
M7F C63 O66 SING N N 72  
M7F C64 O65 SING N N 73  
M7F C01 H1  SING N N 74  
M7F C01 H2  SING N N 75  
M7F C01 H3  SING N N 76  
M7F C03 H4  SING N N 77  
M7F C05 H5  SING N N 78  
M7F C05 H6  SING N N 79  
M7F C05 H7  SING N N 80  
M7F C07 H8  SING N N 81  
M7F C07 H9  SING N N 82  
M7F C08 H10 SING N N 83  
M7F C10 H11 SING N N 84  
M7F C10 H12 SING N N 85  
M7F C10 H13 SING N N 86  
M7F C11 H14 SING N N 87  
M7F C12 H15 SING N N 88  
M7F C12 H16 SING N N 89  
M7F C13 H17 SING N N 90  
M7F C13 H18 SING N N 91  
M7F C14 H19 SING N N 92  
M7F C15 H20 SING N N 93  
M7F C15 H21 SING N N 94  
M7F C16 H22 SING N N 95  
M7F C16 H23 SING N N 96  
M7F C17 H24 SING N N 97  
M7F C19 H25 SING N N 98  
M7F C20 H26 SING N N 99  
M7F C22 H27 SING N N 100 
M7F C24 H28 SING N N 101 
M7F C25 H29 SING N N 102 
M7F C25 H30 SING N N 103 
M7F C27 H31 SING N N 104 
M7F C28 H32 SING N N 105 
M7F C29 H33 SING N N 106 
M7F C33 H34 SING N N 107 
M7F C35 H35 SING N N 108 
M7F C36 H36 SING N N 109 
M7F C38 H37 SING N N 110 
M7F C38 H38 SING N N 111 
M7F C42 H39 SING N N 112 
M7F C42 H40 SING N N 113 
M7F C42 H41 SING N N 114 
M7F C43 H42 SING N N 115 
M7F C43 H43 SING N N 116 
M7F C43 H44 SING N N 117 
M7F C45 H45 SING N N 118 
M7F C45 H46 SING N N 119 
M7F C45 H47 SING N N 120 
M7F C46 H48 SING N N 121 
M7F C46 H49 SING N N 122 
M7F C47 H50 SING N N 123 
M7F C49 H53 SING N N 124 
M7F C50 H54 SING N N 125 
M7F C50 H55 SING N N 126 
M7F C51 H56 SING N N 127 
M7F C51 H57 SING N N 128 
M7F C52 H58 SING N N 129 
M7F C54 H59 SING N N 130 
M7F C54 H60 SING N N 131 
M7F C54 H61 SING N N 132 
M7F C55 H62 SING N N 133 
M7F C55 H63 SING N N 134 
M7F C55 H64 SING N N 135 
M7F C57 H65 SING N N 136 
M7F C59 H66 SING N N 137 
M7F C60 H67 SING N N 138 
M7F C60 H68 SING N N 139 
M7F C62 H69 SING N N 140 
M7F C63 H70 SING N N 141 
M7F C64 H71 SING N N 142 
M7F O09 H72 SING N N 143 
M7F O26 H73 SING N N 144 
M7F O30 H74 SING N N 145 
M7F O31 H75 SING N N 146 
M7F O32 H76 SING N N 147 
M7F O34 H77 SING N N 148 
M7F O39 H78 SING N N 149 
M7F O40 H79 SING N N 150 
M7F O44 H80 SING N N 151 
M7F O61 H81 SING N N 152 
M7F O65 H82 SING N N 153 
M7F O66 H83 SING N N 154 
M7F O67 H84 SING N N 155 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
M7F InChI            InChI                1.06  "InChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)66-43-40(37(58)34(55)27(20-51)64-43)67-42-39(60)36(57)33(54)26(19-50)63-42)22-15-16-46(6)28-12-10-23-24(48(28,8)29(52)17-47(22,46)7)11-14-30(44(23,2)3)65-41-38(59)35(56)32(53)25(18-49)62-41/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3/t21-,22-,24-,25+,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,46-,47+,48-/m0/s1" 
M7F InChIKey         InChI                1.06  QATISCJMIITVAB-QZTXXCAKSA-N                                                                                                                                                                                                                                                                                                                                                                  
M7F SMILES_CANONICAL CACTVS               3.385 "C[C@@H](CC[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)O)[C@@H]3CC[C@@]4(C)[C@@H]5CC=C6[C@H](CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@]5(C)[C@@H](O)C[C@]34C"                                                                                                                                                      
M7F SMILES           CACTVS               3.385 "C[CH](CC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(C)(C)O)[CH]3CC[C]4(C)[CH]5CC=C6[CH](CC[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C6(C)C)[C]5(C)[CH](O)C[C]34C"                                                                                                                                                                                           
M7F SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H]3CC[C@@]4([C@@]3(C[C@@H]([C@@]5([C@H]4CC=C6[C@@H]5CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)C)C"                                                                                                                                              
M7F SMILES           "OpenEye OEToolkits" 2.0.7 "CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)C3CCC4(C3(CC(C5(C4CC=C6C5CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C)C"                                                                                                                                                                                                                                                             
# 
_pdbx_chem_comp_identifier.comp_id           M7F 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},8~{S},9~{R},10~{S},11~{S},13~{R},14~{S},17~{S})-17-[(2~{S},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R},6~{S})-6-(hydroxymethyl)-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
M7F "Create component" 2022-12-23 PDBJ 
M7F "Initial release"  2024-05-29 RCSB 
# 
